N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine

Systemtic Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [diphenoxyphosphoryl-(3-nitrophenyl)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C27H22N3O5PS MolecularWeight: 531.519441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(C3=CC(=CC=C3)[N+](=O)[O-])P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(C3=CC(=CC=C3)[N+](=O)[O-])P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H22N3O5PS/c1-19-15-16-24-25(17-19)37-27(28-24)29-26(20-9-8-10-21(18-20)30(31)32)36(33,34-22-11-4-2-5-12-22)35-23-13-6-3-7-14-23/h2-18,26H,1H3,(H,28,29)